ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane

C15H32N2O2S — CID 142404431

IUPACethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
SMILESCC.CN1CCC2(CCN(S(C)(=O)=O)CC2)C(C)(C)C1
InChIInChI=1S/C13H26N2O2S.C2H6/c1-12(2)11-14(3)8-5-13(12)6-9-15(10-7-13)18(4,16)17;1-2/h5-11H2,1-4H3;1-2H3
InChIKeyCDYNIYKETSEAAX-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.42
Rot. Bonds1

About ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane

ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane (PubChem CID 142404431) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
PubChem CID142404431
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Nameethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
SMILESCC.CN1CCC2(CCN(S(C)(=O)=O)CC2)C(C)(C)C1
InChIInChI=1S/C13H26N2O2S.C2H6/c1-12(2)11-14(3)8-5-13(12)6-9-15(10-7-13)18(4,16)17;1-2/h5-11H2,1-4H3;1-2H3
InChIKeyCDYNIYKETSEAAX-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane (CID 142404431) is ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane is CC.CN1CCC2(CCN(S(C)(=O)=O)CC2)C(C)(C)C1.
What is the InChIKey of ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is CDYNIYKETSEAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S.C2H6/c1-12(2)11-14(3)8-5-13(12)6-9-15(10-7-13)18(4,16)17;1-2/h5-11H2,1-4H3;1-2H3.
What are the key properties of ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 304.50 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9,11,11-trimethyl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 142404431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).